4Y4B
Endothiapepsin in complex with fragment 323
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.3 |
| Synchrotron site | BESSY |
| Beamline | 14.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.895000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.364, 73.209, 52.873 |
| Unit cell angles | 90.00, 109.45, 90.00 |
Refinement procedure
| Resolution | 28.159 - 1.108 |
| R-factor | 0.1245 |
| Rwork | 0.124 |
| R-free | 0.14210 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.209 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1492) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.775 | 1.180 |
| High resolution limit [Å] | 1.108 | 1.110 |
| Rmerge | 0.496 | |
| Number of reflections | 125728 | |
| <I/σ(I)> | 14.32 | 2.3 |
| Completeness [%] | 97.4 | 86.7 |
| Redundancy | 3.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000, crystals obtained by streak-seeding |
